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Substance Name: Urea, 1-(4,7-dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-3-methyl-, oxalate, hydrate (3:3:4)
RN: 75883-59-9
InChIKey: XKCVJOOEBDSWTH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N3-O5.C2-H2-O4.4/3H2-O

Molecular Weight

  • 439.4185
 
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Names and Synonyms

Synonym

  • N-(4,7-Dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea oxalate hydrate

Systematic Name

  • Urea, 1-(4,7-dimethoxy-6-(2-(1-azetidinyl)ethoxy)-5-benzofuranyl)-3-methyl-, oxalate, hydrate (3:3:4)

Registry Numbers

CAS Registry Number

  • 75883-59-9

System Generated Number

  • 0075883599

Molecular Formulas

Molecular Formula

  • C17-H23-N3-O5.C2-H2-O4.4/3H2-O

Molecular Formula Fragments

  • C17-H23-N3-O5
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H23N3O5.C2H2O4/c1-18-17(21)19-12-13(22-2)11-5-9-24-14(11)16(23-3)15(12)25-10-8-20-6-4-7-20;3-1(4)2(5)6/h5,9H,4,6-8,10H2,1-3H3,(H2,18,19,21);(H,3,4)(H,5,6)

InChIKey

XKCVJOOEBDSWTH-UHFFFAOYSA-N

Smiles

CNC(=O)Nc1c(c2ccoc2c(c1OCCN3CCC3)OC)OC.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1gm/kg (1000mg/kg) CARDIAC: OTHER CHANGES Journal of Medicinal Chemistry. Vol. 24, Pg. 159, 1981.